5-(1,3-benzothiazol-2-ylcarbamoylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-5-oxo-pentanoic acid CAS Name: 5-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-5-oxopentanoic acid Traditional Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-5-keto-valeric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)NC(=O)CCCC(=O)O

InChI

InChI=1S/C13H13N3O4S/c17-10(6-3-7-11(18)19)15-12(20)16-13-14-8-4-1-2-5-9(8)21-13/h1-2,4-5H,3,6-7H2,(H,18,19)(H2,14,15,16,17,20)